SCHEMBL10033121

SCHEMBL10033121

N#Cc1ccc(C2C(CC(=O)O)CCCC2N(CC2CCCCC2)CC2CCCCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.38
KDM1A O60341 4/20 0.37
TSHR P16473 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
EPHX1 P07099 1/20 0.34
KMT2A Q03164 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
NAMPT P43490 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
PAX8 Q06710 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
NSD2 O96028 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1709398 0.89 KDM1A (0.36) USP30KDM1ATSHRNPC1RAB9A
SCHEMBL1709408 0.87 DGAT1 (0.38)
SCHEMBL1709407 0.87 TP53 (0.39) NPC1RAB9AEPHX1KMT2APAX8
SCHEMBL1709409 0.86 POLB (0.38) RAB9AKMT2APAX8SIGMAR1
SCHEMBL1709480 0.86 NPC1 (0.38) NPC1RAB9A
SCHEMBL1709497 0.83 EPHX2 (0.43) USP30PTGDR2KMT2ATAS2R14
SCHEMBL1709405 0.83 TACR1 (0.38) PTGDR2NAMPT
SCHEMBL10032831 0.82 TACR1 (0.36) PTGDR2NAMPT
SCHEMBL10032832 0.82 TACR1 (0.36) PTGDR2NAMPT
SCHEMBL1709359 0.81 USP30 (0.38) USP30KDM1ANPC1RAB9APTGDR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012046771-A1 CYCLOALKANE COMPOUND アステラス製薬株式会社 (JP) 2012-04-12 WO disclosed